1'-Benzylspiro[chroman-2,4'-piperidin]-4-one

Base Information

• Chemical Name: 1'-Benzylspiro[chroman-2,4'-piperidin]-4-one
• CAS No.: 77264-89-2
• Molecular Formula: C₂₀H₂₁NO₂
• Molecular Weight: 307.392
• DSSTox Substance ID: DTXSID60368618
• Nikkaji Number: J1.997.216J
• Wikidata: Q82155299
• Pharos Ligand ID: Q1G4TSHN1RFS
• ChEMBL ID: CHEMBL571659

Synonyms:77264-89-2;1'-benzylspiro[chroman-2,4'-piperidin]-4-one;1'-benzyl-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one;1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one;CHEMBL571659;1'-benzylspiro[chroman-2,4'-piperidine]-4-one;SCHEMBL4270067;DTXSID60368618;CDA26489;BDBM50415160;MFCD02182972;AKOS027254998;NCGC00476829-01;AS-41503;CS-0455582;EN300-53301;1'-Benzylspiro[chromane-2,4'-piperidin]-4-one;SR-01000050009;SR-01000050009-1;Z56965912

Chemical Property of 1'-Benzylspiro[chroman-2,4'-piperidin]-4-one

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 307.157228913
• Heavy Atom Count: 23
• Complexity: 421

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC12CC(=O)C3=CC=CC=C3O2)CC4=CC=CC=C4

Technology Process of 1'-Benzylspiro[chroman-2,4'-piperidin]-4-one

There total 1 articles about 1'-Benzylspiro[chroman-2,4'-piperidin]-4-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

1-phenylmethyl-4-piperidone (3612-20-2) + o-hydroxyacetophenone (118-93-4,104809-67-8) → 1'-benzylspiro[chromene-2,4'-piperidin]-4(3H)-one (77264-89-2)

Guidance literature:

With pyrrolidine; In methanol; for 18h; Heating;

DOI:10.1016/j.tetlet.2003.11.079

Reference yield: 100.0%

1'-benzylspiro[chromene-2,4'-piperidin]-4(3H)-one (77264-89-2) → 1'-benzylspiro[chromene-2,4'-piperidin]-4(3H)-one oxime (693789-31-0)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In ethanol; for 3h; Heating;

DOI:10.1071/CH06318

Reference yield: 87.0%

1'-benzylspiro[chromene-2,4'-piperidin]-4(3H)-one (77264-89-2) → 1'-benzyl-4-hydroxyspiro- (81109-75-3)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; In ethanol; for 2h; Heating;

DOI:10.1248/cpb.29.3494

upstream raw materials:

1-phenylmethyl-4-piperidone

o-hydroxyacetophenone

Downstream raw materials:

1'-benzyl-4-hydroxyspiro-

1'-benzylspiro[chromane-2,4'-piperidine]

1'-benzylspiro[chromene-2,4'-piperidin]-4(3H)-one oxime

1'-benzylspiro<2H-1-benzopyran-2,4'-poperidine>

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